4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid

C10H15N5O4 — CID 66734862

IUPAC4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCN(C(=O)O)C(c2nn[nH]n2)C1
InChIInChI=1S/C10H15N5O4/c1-2-19-9(16)6-3-4-15(10(17)18)7(5-6)8-11-13-14-12-8/h6-7H,2-5H2,1H3,(H,17,18)(H,11,12,13,14)
InChIKeyBUIAIUHTYISQLD-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.19
Rot. Bonds3

About 4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid

4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid (PubChem CID 66734862) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid
PubChem CID66734862
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCN(C(=O)O)C(c2nn[nH]n2)C1
InChIInChI=1S/C10H15N5O4/c1-2-19-9(16)6-3-4-15(10(17)18)7(5-6)8-11-13-14-12-8/h6-7H,2-5H2,1H3,(H,17,18)(H,11,12,13,14)
InChIKeyBUIAIUHTYISQLD-UHFFFAOYSA-N
XLogP0.19
TPSA121.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid (CID 66734862) is 4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid is CCOC(=O)C1CCN(C(=O)O)C(c2nn[nH]n2)C1.
What is the InChIKey of 4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid?
The InChIKey is BUIAIUHTYISQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-2-19-9(16)6-3-4-15(10(17)18)7(5-6)8-11-13-14-12-8/h6-7H,2-5H2,1H3,(H,17,18)(H,11,12,13,14).
What are the key properties of 4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid?
4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycarbonyl-2-(2H-tetrazol-5-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 66734862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).